(4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)

C52H59N3O2Pt — CID 170933176

About (4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)

(4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+) (PubChem CID 170933176) has the molecular formula C52H59N3O2Pt and a molecular weight of 953.14 g/mol. Its IUPAC name is (4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+).

Molecular Properties

• Compound Name: (4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)
• PubChem CID: 170933176
• Molecular Formula: C52H59N3O2Pt
• Molecular Weight: 953.14 g/mol
• Exact Mass: 952.43
• IUPAC Name: (4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c(-n3c4ccc(C(C)(C)C)cc4c4cccnc43)cc(C(C)(C)C)c2)[c-]c(C2=N[C@](C)(C3CCCC3)CO2)c1.[Pt+2]
• InChI: InChI=1S/C52H59N3O2.Pt/c1-32(2)42-18-14-19-43(33(3)4)47(42)34-24-35(49-54-52(11,31-56-49)36-16-12-13-17-36)26-40(25-34)57-41-28-38(51(8,9)10)27-39(30-41)55-46-22-21-37(50(5,6)7)29-45(46)44-20-15-23-53-48(44)55;/h14-15,18-25,27-29,32-33,36H,12-13,16-17,31H2,1-11H3;/q-2;+2/t52-;/m0./s1
• InChIKey: ZSQXTTFAJDBENW-CLDMLKDTSA-N
• XLogP: 13.80
• TPSA: 48.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.14
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)?

The IUPAC name of (4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+) (CID 170933176) is (4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+).

What is the SMILES notation for (4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)?

The canonical SMILES for (4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+) is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2[c-]c(-n3c4ccc(C(C)(C)C)cc4c4cccnc43)cc(C(C)(C)C)c2)[c-]c(C2=N[C@](C)(C3CCCC3)CO2)c1.[Pt+2].

What is the InChIKey of (4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)?

The InChIKey is ZSQXTTFAJDBENW-CLDMLKDTSA-N. The full InChI is InChI=1S/C52H59N3O2.Pt/c1-32(2)42-18-14-19-43(33(3)4)47(42)34-24-35(49-54-52(11,31-56-49)36-16-12-13-17-36)26-40(25-34)57-41-28-38(51(8,9)10)27-39(30-41)55-46-22-21-37(50(5,6)7)29-45(46)44-20-15-23-53-48(44)55;/h14-15,18-25,27-29,32-33,36H,12-13,16-17,31H2,1-11H3;/q-2;+2/t52-;/m0./s1.

What are the key properties of (4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)?

(4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+) has a molecular weight of 953.14 g/mol, XLogP of 13.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 170933176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).